Molecule
ID:100375
General Information
Molecular Formula
C₈H₄ClF₃O
Molecular Mass
208.5649696
Exact Mass
207.99027709
Charge
0
InChI
InChI=1S/C8H4ClF3O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-4H
InChIKey
ISAHRYXMBYDJEV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)cccc1C(F)(F)F
Isomeric Smiles
O=Cc1c(cccc1C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1676414
LogD (pH = 7.4)
3.1676414
Log P
3.1676414
Molar Refractivity
43.4205
Polarizability
15.47426
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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